2-(2-chloro-4-cyano-N-ethylanilino)acetamide

C11H12ClN3O — CID 103102412

IUPAC2-(2-chloro-4-cyano-N-ethylanilino)acetamide
SMILESCCN(CC(N)=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C11H12ClN3O/c1-2-15(7-11(14)16)10-4-3-8(6-13)5-9(10)12/h3-5H,2,7H2,1H3,(H2,14,16)
InChIKeyKTMFDXXQNAIRQA-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.52
Rot. Bonds4

About 2-(2-chloro-4-cyano-N-ethylanilino)acetamide

2-(2-chloro-4-cyano-N-ethylanilino)acetamide (PubChem CID 103102412) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-(2-chloro-4-cyano-N-ethylanilino)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-cyano-N-ethylanilino)acetamide
PubChem CID103102412
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-(2-chloro-4-cyano-N-ethylanilino)acetamide
SMILESCCN(CC(N)=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C11H12ClN3O/c1-2-15(7-11(14)16)10-4-3-8(6-13)5-9(10)12/h3-5H,2,7H2,1H3,(H2,14,16)
InChIKeyKTMFDXXQNAIRQA-UHFFFAOYSA-N
XLogP1.52
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-chloro-4-cyano-N-ethylanilino)acetate
CID 63092304
3-chloro-4-[2-cyanoethyl(ethyl)amino]benzonitrile
CID 55220672
2-[(2-chloro-4-cyanophenyl)methyl-methylamino]acetamide
CID 102665299
2-(3-chloro-2-cyano-N-ethylanilino)acetamide
CID 103102393
ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate
CID 55031101
N-(2-chloro-4-cyanophenyl)-N-methylpropanamide
CID 44597129
2-(4-bromo-2-cyano-N-ethylanilino)acetamide
CID 103102407
ethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate
CID 63092793
2-[2-bromo-4-cyano-N-(2-methylpropyl)anilino]acetamide
CID 82798023
3-chloro-4-[2-(dimethylamino)ethyl-propylamino]benzonitrile
CID 63087550
2-[butyl-(2-chloro-4-cyanophenyl)sulfonylamino]acetamide
CID 103989074
2-(3-cyano-N-ethyl-5-fluoroanilino)acetamide
CID 103102397

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-cyano-N-ethylanilino)acetamide?
The IUPAC name of 2-(2-chloro-4-cyano-N-ethylanilino)acetamide (CID 103102412) is 2-(2-chloro-4-cyano-N-ethylanilino)acetamide.
What is the SMILES notation for 2-(2-chloro-4-cyano-N-ethylanilino)acetamide?
The canonical SMILES for 2-(2-chloro-4-cyano-N-ethylanilino)acetamide is CCN(CC(N)=O)c1ccc(C#N)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-cyano-N-ethylanilino)acetamide?
The InChIKey is KTMFDXXQNAIRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-2-15(7-11(14)16)10-4-3-8(6-13)5-9(10)12/h3-5H,2,7H2,1H3,(H2,14,16).
What are the key properties of 2-(2-chloro-4-cyano-N-ethylanilino)acetamide?
2-(2-chloro-4-cyano-N-ethylanilino)acetamide has a molecular weight of 237.69 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-cyano-N-ethylanilino)acetamide is sourced from PubChem (CID 103102412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).